6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-thiol
Chemical Structure Depiction of
6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-thiol
6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-thiol
Compound characteristics
| Compound ID: | K783-3996 |
| Compound Name: | 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-thiol |
| Molecular Weight: | 322.79 |
| Molecular Formula: | C14 H12 Cl F N4 S |
| Smiles: | Cc1c(Cc2c(cccc2[Cl])F)c(C)n2c(n1)nc(n2)S |
| Stereo: | ACHIRAL |
| logP: | 3.308 |
| logD: | 3.296 |
| logSw: | -3.7191 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.703 |
| InChI Key: | GTVAXEAFUXHRDK-UHFFFAOYSA-N |